2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole

C9H6ClIN2O2 — CID 114771469

IUPAC2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-c1nnc(I)o1
InChIInChI=1S/C9H6ClIN2O2/c1-14-7-3-2-5(10)4-6(7)8-12-13-9(11)15-8/h2-4H,1H3
InChIKeyXCVJQAVLDZNGHI-UHFFFAOYSA-N
MW336.52 g/mol
LogP3.00
Rot. Bonds2

About 2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole

2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole (PubChem CID 114771469) has the molecular formula C9H6ClIN2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole
PubChem CID114771469
Molecular FormulaC9H6ClIN2O2
Molecular Weight336.52 g/mol
Exact Mass335.92
IUPAC Name2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-c1nnc(I)o1
InChIInChI=1S/C9H6ClIN2O2/c1-14-7-3-2-5(10)4-6(7)8-12-13-9(11)15-8/h2-4H,1H3
InChIKeyXCVJQAVLDZNGHI-UHFFFAOYSA-N
XLogP3.00
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole
CID 114771081
methyl 5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685401
2-[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62163424
2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771479
4-[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid
CID 118337274
2-(5-chloro-2-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine
CID 91673887
N-(5-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391768
[3-[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate
CID 140530205
4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 1257317
3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole
CID 19332463
1-[5-(4-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 55035148
2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325269

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole (CID 114771469) is 2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole is COc1ccc(Cl)cc1-c1nnc(I)o1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole?
The InChIKey is XCVJQAVLDZNGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClIN2O2/c1-14-7-3-2-5(10)4-6(7)8-12-13-9(11)15-8/h2-4H,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole?
2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole has a molecular weight of 336.52 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole is sourced from PubChem (CID 114771469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).